⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14334240 | 0.85 | CYP4A11 (0.49) | — | |
| SCHEMBL14334120 | 0.85 | ROCK2 (0.48) | — | |
| SCHEMBL14335009 | 0.84 | GPR119 (0.54) | — | |
| SCHEMBL14334296 | 0.82 | IRAK4 (0.52) | — | |
| SCHEMBL14334929 | 0.82 | KDM5A (0.40) | — | |
| SCHEMBL14334914 | 0.82 | NAMPT (0.45) | — | |
| SCHEMBL14334210 | 0.80 | CHEK2 (0.43) | — | |
| SCHEMBL14377360 | 0.80 | PIK3CD (0.55) | — | |
| SCHEMBL14334113 | 0.80 | PIK3CD (0.55) | — | |
| SCHEMBL20687907 | 0.80 | ALOX5AP (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012176123-A1 | 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2012-12-27 | — | — | WO | disclosed |